Pm5ScCd6
Alexandria ALEXAlex-ID: agm006084809 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
ScCd PmCd
2023-09-18 14:47:48.386781
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006084809).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006084809
data_agm006084809
_cell_length_a 5.31833
_cell_length_b 7.63784
_cell_length_c 8.44823
_cell_angle_alpha 89.99995
_cell_angle_beta 71.66611
_cell_angle_gamma 89.99984
_cell_volume 325.75175
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.67096 0.50000 0.65790 1.00000
Pm2 Pm 0.33436 1.00000 0.33151 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Pm4 Pm 0.66564 0.00000 0.66849 1.00000
Pm5 Pm 0.32904 0.50000 0.34210 1.00000
Cd1 Cd 0.84096 0.76065 0.31828 1.00000
Cd2 Cd 0.84095 0.23935 0.31828 1.00000
Cd3 Cd 0.50001 0.23749 1.00000 1.00000
Cd4 Cd 0.49999 0.76251 0.00000 1.00000
Cd5 Cd 0.15905 0.76065 0.68172 1.00000
Cd6 Cd 0.15904 0.23935 0.68172 1.00000
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